(Z)-N,N,3-trimethyl-4-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hex-1-en-1-amine

C17H29N — CID 130374013

IUPAC(Z)-N,N,3-trimethyl-4-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hex-1-en-1-amine
SMILESCCC(CC1=C(C)C=CCC1)C(C)/C=C\N(C)C
InChIInChI=1S/C17H29N/c1-6-16(15(3)11-12-18(4)5)13-17-10-8-7-9-14(17)2/h7,9,11-12,15-16H,6,8,10,13H2,1-5H3/b12-11-
InChIKeySAQWRBULYADOFT-QXMHVHEDSA-N
MW247.43 g/mol
LogP4.78
Rot. Bonds6

About (Z)-N,N,3-trimethyl-4-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hex-1-en-1-amine

(Z)-N,N,3-trimethyl-4-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hex-1-en-1-amine (PubChem CID 130374013) has the molecular formula C17H29N and a molecular weight of 247.43 g/mol. Its IUPAC name is (Z)-N,N,3-trimethyl-4-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hex-1-en-1-amine.

Molecular Properties

Compound Name(Z)-N,N,3-trimethyl-4-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hex-1-en-1-amine
PubChem CID130374013
Molecular FormulaC17H29N
Molecular Weight247.43 g/mol
Exact Mass247.23
IUPAC Name(Z)-N,N,3-trimethyl-4-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hex-1-en-1-amine
SMILESCCC(CC1=C(C)C=CCC1)C(C)/C=C\N(C)C
InChIInChI=1S/C17H29N/c1-6-16(15(3)11-12-18(4)5)13-17-10-8-7-9-14(17)2/h7,9,11-12,15-16H,6,8,10,13H2,1-5H3/b12-11-
InChIKeySAQWRBULYADOFT-QXMHVHEDSA-N
XLogP4.78
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.43
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (Z)-N,N,3-trimethyl-4-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hex-1-en-1-amine?
The IUPAC name of (Z)-N,N,3-trimethyl-4-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hex-1-en-1-amine (CID 130374013) is (Z)-N,N,3-trimethyl-4-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hex-1-en-1-amine.
What is the SMILES notation for (Z)-N,N,3-trimethyl-4-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hex-1-en-1-amine?
The canonical SMILES for (Z)-N,N,3-trimethyl-4-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hex-1-en-1-amine is CCC(CC1=C(C)C=CCC1)C(C)/C=C\N(C)C.
What is the InChIKey of (Z)-N,N,3-trimethyl-4-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hex-1-en-1-amine?
The InChIKey is SAQWRBULYADOFT-QXMHVHEDSA-N. The full InChI is InChI=1S/C17H29N/c1-6-16(15(3)11-12-18(4)5)13-17-10-8-7-9-14(17)2/h7,9,11-12,15-16H,6,8,10,13H2,1-5H3/b12-11-.
What are the key properties of (Z)-N,N,3-trimethyl-4-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hex-1-en-1-amine?
(Z)-N,N,3-trimethyl-4-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hex-1-en-1-amine has a molecular weight of 247.43 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-N,N,3-trimethyl-4-[(2-methylcyclohexa-1,3-dien-1-yl)methyl]hex-1-en-1-amine is sourced from PubChem (CID 130374013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).